CID 15522031

2-(piperazin-1-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1CN(CCN1)CC#N
InChI
InChI=1S/C6H11N3/c7-1-4-9-5-2-8-3-6-9/h8H,2-6H2
InChIKey
XHOHVIKZCDXJNK-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 123.1
[M+Na]+ 148.084518 130.1
[M-H]- 124.088024 121.5
[M+NH4]+ 143.129123 139.5
[M+K]+ 164.058458 127.9
[M+H-H2O]+ 108.092560 109.6
[M+HCOO]- 170.093501 137.1
[M+CH3COO]- 184.109151 181.0
[M+Na-2H]- 146.069966 129.4
[M]+ 125.09475142 112.3
[M]- 125.09584858 112.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe